5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

C22H33N5O3S — CID 42824167

IUPAC5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1
InChIInChI=1S/C22H33N5O3S/c1-4-9-26(3)20-15-17(5-2)24-22(25-20)31-16-18-6-7-19(30-18)21(28)23-8-10-27-11-13-29-14-12-27/h6-7,15H,4-5,8-14,16H2,1-3H3,(H,23,28)
InChIKeyHDSDCHBDRGHDSJ-UHFFFAOYSA-N
MW447.61 g/mol
LogP2.83
Rot. Bonds11

About 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide

5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (PubChem CID 42824167) has the molecular formula C22H33N5O3S and a molecular weight of 447.61 g/mol. Its IUPAC name is 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
PubChem CID42824167
Molecular FormulaC22H33N5O3S
Molecular Weight447.61 g/mol
Exact Mass447.23
IUPAC Name5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
SMILESCCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1
InChIInChI=1S/C22H33N5O3S/c1-4-9-26(3)20-15-17(5-2)24-22(25-20)31-16-18-6-7-19(30-18)21(28)23-8-10-27-11-13-29-14-12-27/h6-7,15H,4-5,8-14,16H2,1-3H3,(H,23,28)
InChIKeyHDSDCHBDRGHDSJ-UHFFFAOYSA-N
XLogP2.83
TPSA83.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-[[4-(diethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42824942
2-[4-chloro-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanyl-N-(2-morpholin-4-ylethyl)acetamide
CID 5202723
N-(1,3-benzodioxol-5-ylmethyl)-5-[[4-(methoxymethyl)-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxamide
CID 42825681
N-(2-morpholin-4-ylethyl)-5-[(4-morpholin-4-yl-6-phenylpyrimidin-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 83289833
4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42754446
4-[[4-(diethylamino)-6-propan-2-ylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42827417
4-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 3339382
5-[[4-ethyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 42824177
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
N-(2-morpholin-4-ylethyl)-5-[[2-[[propanoyl(propyl)amino]methyl]pyrrol-1-yl]methyl]furan-2-carboxamide
CID 7265561
5-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 42792268
N-ethyl-3-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-methylbenzamide
CID 42824630

Frequently Asked Questions

What is the IUPAC name of 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide (CID 42824167) is 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is CCCN(C)c1cc(CC)nc(SCc2ccc(C(=O)NCCN3CCOCC3)o2)n1.
What is the InChIKey of 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
The InChIKey is HDSDCHBDRGHDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O3S/c1-4-9-26(3)20-15-17(5-2)24-22(25-20)31-16-18-6-7-19(30-18)21(28)23-8-10-27-11-13-29-14-12-27/h6-7,15H,4-5,8-14,16H2,1-3H3,(H,23,28).
What are the key properties of 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide?
5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide has a molecular weight of 447.61 g/mol, XLogP of 2.83, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-ethyl-6-[methyl(propyl)amino]pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 42824167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).